(E)-1-(4-propan-2-ylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine

C19H24N4 — CID 5342699

IUPAC(E)-1-(4-propan-2-ylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
SMILESCC(C)c1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H24N4/c1-16(2)18-8-6-17(7-9-18)15-21-23-13-11-22(12-14-23)19-5-3-4-10-20-19/h3-10,15-16H,11-14H2,1-2H3/b21-15+
InChIKeyVYAOOOPDXHONER-RCCKNPSSSA-N
MW308.43 g/mol
LogP3.36
Rot. Bonds4

About (E)-1-(4-propan-2-ylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine

(E)-1-(4-propan-2-ylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine (PubChem CID 5342699) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is (E)-1-(4-propan-2-ylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(4-propan-2-ylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
PubChem CID5342699
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name(E)-1-(4-propan-2-ylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
SMILESCC(C)c1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H24N4/c1-16(2)18-8-6-17(7-9-18)15-21-23-13-11-22(12-14-23)19-5-3-4-10-20-19/h3-10,15-16H,11-14H2,1-2H3/b21-15+
InChIKeyVYAOOOPDXHONER-RCCKNPSSSA-N
XLogP3.36
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-propan-2-ylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The IUPAC name of (E)-1-(4-propan-2-ylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine (CID 5342699) is (E)-1-(4-propan-2-ylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine.
What is the SMILES notation for (E)-1-(4-propan-2-ylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The canonical SMILES for (E)-1-(4-propan-2-ylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is CC(C)c1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of (E)-1-(4-propan-2-ylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The InChIKey is VYAOOOPDXHONER-RCCKNPSSSA-N. The full InChI is InChI=1S/C19H24N4/c1-16(2)18-8-6-17(7-9-18)15-21-23-13-11-22(12-14-23)19-5-3-4-10-20-19/h3-10,15-16H,11-14H2,1-2H3/b21-15+.
What are the key properties of (E)-1-(4-propan-2-ylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
(E)-1-(4-propan-2-ylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine has a molecular weight of 308.43 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-propan-2-ylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is sourced from PubChem (CID 5342699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).